Cluster Quantum-Chemical Study of Dihydrogen, Methane and Water Molecules: Interactions with Pure and Lithium Doped Magnesium Oxide Full article
Source | Physics and Chemistry of Finite Systems: From Clusters to Crystals Compilation, Springer Dordrecht. 1992. 1436 c. ISBN 9780792318187. |
||
---|---|---|---|
Output data | Year: 1992, Volume: 374, Pages: 1177-1182 Pages count : 6 DOI: 10.1007/978-94-017-2645-0_162 | ||
Tags | Methane Molecule; Full Optimization; Dissociative Chemisorption; Chemisorption Energy | ||
Authors |
|
||
Affiliations |
|
Abstract:
In the framework of supermolecular approach using MINDO/3 method the various channels of dissociative chemisorption of dihydrogen, methane and water molecules on pure and lithium doped magnesium oxide surfaces are considered. On the basis of obtained calculation results the possible ways of these molecules activation on and Li/MgO, the mechanism of destructive interaction of water with magnesia, the nature of surface hydroxyl groups and some other problems are discussed.
Cite:
Zhanpeisov N.U.
, Zhidomirov G.M.
Cluster Quantum-Chemical Study of Dihydrogen, Methane and Water Molecules: Interactions with Pure and Lithium Doped Magnesium Oxide
In compilation Physics and Chemistry of Finite Systems: From Clusters to Crystals. – Springer Dordrecht., 1992. – Т.Nato Science Series C: (ASIC, volume 374). – C.1177-1182. – ISBN 9780792318187. DOI: 10.1007/978-94-017-2645-0_162
Cluster Quantum-Chemical Study of Dihydrogen, Methane and Water Molecules: Interactions with Pure and Lithium Doped Magnesium Oxide
In compilation Physics and Chemistry of Finite Systems: From Clusters to Crystals. – Springer Dordrecht., 1992. – Т.Nato Science Series C: (ASIC, volume 374). – C.1177-1182. – ISBN 9780792318187. DOI: 10.1007/978-94-017-2645-0_162
Identifiers:
OpenAlex | W2478865818 |
Citing:
Пока нет цитирований